9-[(E,1E)-1-cyclohexa-2,4-dien-1-ylidenepent-2-en-3-yl]-10-(7-phenylnaphthalen-1-yl)-2,3-dihydroanthracene

C41H34 — CID 145013945

IUPAC9-[(E,1E)-1-cyclohexa-2,4-dien-1-ylidenepent-2-en-3-yl]-10-(7-phenylnaphthalen-1-yl)-2,3-dihydroanthracene
SMILESCC/C(=C\C=C1\C=CC=CC1)c1c2c(c(-c3cccc4ccc(-c5ccccc5)cc34)c3ccccc13)=CCCC=2
InChIInChI=1S/C41H34/c1-2-30(25-24-29-14-5-3-6-15-29)40-34-19-9-11-21-36(34)41(37-22-12-10-20-35(37)40)38-23-13-18-32-26-27-33(28-39(32)38)31-16-7-4-8-17-31/h3-9,11,13-14,16-28H,2,10,12,15H2,1H3/b29-24-,30-25+
InChIKeyQZEVZULVPCGQMO-ZTKLTGDLSA-N
MW526.72 g/mol
LogP9.92
Rot. Bonds5

About 9-[(E,1E)-1-cyclohexa-2,4-dien-1-ylidenepent-2-en-3-yl]-10-(7-phenylnaphthalen-1-yl)-2,3-dihydroanthracene

9-[(E,1E)-1-cyclohexa-2,4-dien-1-ylidenepent-2-en-3-yl]-10-(7-phenylnaphthalen-1-yl)-2,3-dihydroanthracene (PubChem CID 145013945) has the molecular formula C41H34 and a molecular weight of 526.72 g/mol. Its IUPAC name is 9-[(E,1E)-1-cyclohexa-2,4-dien-1-ylidenepent-2-en-3-yl]-10-(7-phenylnaphthalen-1-yl)-2,3-dihydroanthracene.

Molecular Properties

Compound Name9-[(E,1E)-1-cyclohexa-2,4-dien-1-ylidenepent-2-en-3-yl]-10-(7-phenylnaphthalen-1-yl)-2,3-dihydroanthracene
PubChem CID145013945
Molecular FormulaC41H34
Molecular Weight526.72 g/mol
Exact Mass526.27
IUPAC Name9-[(E,1E)-1-cyclohexa-2,4-dien-1-ylidenepent-2-en-3-yl]-10-(7-phenylnaphthalen-1-yl)-2,3-dihydroanthracene
SMILESCC/C(=C\C=C1\C=CC=CC1)c1c2c(c(-c3cccc4ccc(-c5ccccc5)cc34)c3ccccc13)=CCCC=2
InChIInChI=1S/C41H34/c1-2-30(25-24-29-14-5-3-6-15-29)40-34-19-9-11-21-36(34)41(37-22-12-10-20-35(37)40)38-23-13-18-32-26-27-33(28-39(32)38)31-16-7-4-8-17-31/h3-9,11,13-14,16-28H,2,10,12,15H2,1H3/b29-24-,30-25+
InChIKeyQZEVZULVPCGQMO-ZTKLTGDLSA-N
XLogP9.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.72
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-[(E,1E)-1-cyclohexa-2,4-dien-1-ylidenepent-2-en-3-yl]-10-(7-phenylnaphthalen-1-yl)-2,3-dihydroanthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-naphthalen-2-yl-10-[5-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)naphthalen-1-yl]anthracene
CID 143539913
9-(7-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene
CID 156677112
5,11-dinaphthalen-1-yl-2-(5,6,7,8-tetraphenylnaphthalen-2-yl)-9H-cyclohepta[b]naphthalene
CID 143539851
9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
CID 160747045
9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene
CID 58194333
9-(3-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracene
CID 156677059
9-naphthalen-1-yl-10-[3-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene
CID 168786914
9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 176590384
4'-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]-9,9'-spirobi[fluorene]
CID 156677063
2-(6-cyclohexa-1,5-dien-1-ylnaphthalen-2-yl)-9,10-dinaphthalen-1-ylanthracene
CID 143617555
9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene
CID 144837228
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405

Frequently Asked Questions

What is the IUPAC name of 9-[(E,1E)-1-cyclohexa-2,4-dien-1-ylidenepent-2-en-3-yl]-10-(7-phenylnaphthalen-1-yl)-2,3-dihydroanthracene?
The IUPAC name of 9-[(E,1E)-1-cyclohexa-2,4-dien-1-ylidenepent-2-en-3-yl]-10-(7-phenylnaphthalen-1-yl)-2,3-dihydroanthracene (CID 145013945) is 9-[(E,1E)-1-cyclohexa-2,4-dien-1-ylidenepent-2-en-3-yl]-10-(7-phenylnaphthalen-1-yl)-2,3-dihydroanthracene.
What is the SMILES notation for 9-[(E,1E)-1-cyclohexa-2,4-dien-1-ylidenepent-2-en-3-yl]-10-(7-phenylnaphthalen-1-yl)-2,3-dihydroanthracene?
The canonical SMILES for 9-[(E,1E)-1-cyclohexa-2,4-dien-1-ylidenepent-2-en-3-yl]-10-(7-phenylnaphthalen-1-yl)-2,3-dihydroanthracene is CC/C(=C\C=C1\C=CC=CC1)c1c2c(c(-c3cccc4ccc(-c5ccccc5)cc34)c3ccccc13)=CCCC=2.
What is the InChIKey of 9-[(E,1E)-1-cyclohexa-2,4-dien-1-ylidenepent-2-en-3-yl]-10-(7-phenylnaphthalen-1-yl)-2,3-dihydroanthracene?
The InChIKey is QZEVZULVPCGQMO-ZTKLTGDLSA-N. The full InChI is InChI=1S/C41H34/c1-2-30(25-24-29-14-5-3-6-15-29)40-34-19-9-11-21-36(34)41(37-22-12-10-20-35(37)40)38-23-13-18-32-26-27-33(28-39(32)38)31-16-7-4-8-17-31/h3-9,11,13-14,16-28H,2,10,12,15H2,1H3/b29-24-,30-25+.
What are the key properties of 9-[(E,1E)-1-cyclohexa-2,4-dien-1-ylidenepent-2-en-3-yl]-10-(7-phenylnaphthalen-1-yl)-2,3-dihydroanthracene?
9-[(E,1E)-1-cyclohexa-2,4-dien-1-ylidenepent-2-en-3-yl]-10-(7-phenylnaphthalen-1-yl)-2,3-dihydroanthracene has a molecular weight of 526.72 g/mol, XLogP of 9.92, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(E,1E)-1-cyclohexa-2,4-dien-1-ylidenepent-2-en-3-yl]-10-(7-phenylnaphthalen-1-yl)-2,3-dihydroanthracene is sourced from PubChem (CID 145013945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).